(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C23H28N2O4 — CID 15034724

IUPAC(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(C)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C23H28N2O4/c1-17-3-5-18(6-4-17)23(27)11-13-24(14-12-23)15-21-16-25(22(26)29-21)19-7-9-20(28-2)10-8-19/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyZXYPLEFCKYWPPE-NRFANRHFSA-N
MW396.49 g/mol
LogP3.31
Rot. Bonds5

About (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 15034724) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID15034724
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(C)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C23H28N2O4/c1-17-3-5-18(6-4-17)23(27)11-13-24(14-12-23)15-21-16-25(22(26)29-21)19-7-9-20(28-2)10-8-19/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyZXYPLEFCKYWPPE-NRFANRHFSA-N
XLogP3.31
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 15034724) is (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(C)cc4)CC3)OC2=O)cc1.
What is the InChIKey of (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is ZXYPLEFCKYWPPE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-3-5-18(6-4-17)23(27)11-13-24(14-12-23)15-21-16-25(22(26)29-21)19-7-9-20(28-2)10-8-19/h3-10,21,27H,11-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 396.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15034724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).